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PUBCHEM-ZINC06445504

 MMsINC code: MMs03736760
Type: Neutral
Formula: C24H24F2N4O2
SMILES:   Fc1ccc(cc1)C(N(C(=O)c1[nH]ncc1)Cc1ccc(F)cc1)C(=O)NC1CCCC1
InChI:   InChI=1/C24H24F2N4O2/c25-18-9-5-16(6-10-18)15-30(24(32)21-13-14-27-29-21)22(17-7-11-19(26)12-8-17)23(31)28-20-3-1-2-4-20/h5-14,20,22H,1-4,15H2,(H,27,29)(H,28,31)/t22-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=148.338 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 438.478 g/mol  logS: -5.26823  SlogP: 4.4923  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.292246  Sterimol/B1: 3.3329  Sterimol/B2: 3.90582  Sterimol/B3: 6.60345
  Sterimol/B4: 8.2174  Sterimol/L: 14.6085 
 
 Surface and Volume Properties
  Accessible surface: 612.482  Positive charged surface: 362.525  Negative charged surface: 249.956  Volume: 395
  Hydrophobic surface: 529.373  Hydrophilic surface: 83.109
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.